.BETA.-THUJONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H16O
Molecular Weight	152.2334
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-THUJONE

Structure Search

SMILES

CC(C)[C@@]12C[C@@H]1[C@H](C)C(=O)C2

InChI

InChIKey=USMNOWBWPHYOEA-XKSSXDPKSA-N

InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H16O
Molecular Weight	152.2334
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:50:47 UTC 2023` Edited by `admin` on `Fri Dec 15 18:50:47 UTC 2023`
Record UNII	8ZI5R3T54Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

.BETA.-THUJONE

Common Name

English

.BETA.-THUJONE [MI]

Common Name

English

ISOTHUJONE

Common Name

English

CIS-THUJONE

Common Name

English

3-THUJANONE, (1S,4S,5R)-(+)-

Systematic Name

English

BETA-THUJONE

Common Name

English

(+)-THUJONE

Common Name

English

NSC-67392

Code

English

BICYCLO(3.1.0)HEXAN-3-ONE, 4-METHYL-1-(1-METHYLETHYL)-, (1S,4S,5R)

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

ISOTHUJONE

Created by admin on Fri Dec 15 18:50:47 UTC 2023 , Edited by admin on Fri Dec 15 18:50:47 UTC 2023

Code System Code Type Description

CHEBI

50043

Created by admin on Fri Dec 15 18:50:47 UTC 2023 , Edited by admin on Fri Dec 15 18:50:47 UTC 2023

PRIMARY

EPA CompTox

DTXSID7057575

Created by admin on Fri Dec 15 18:50:47 UTC 2023 , Edited by admin on Fri Dec 15 18:50:47 UTC 2023

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PUBCHEM

91456

Created by admin on Fri Dec 15 18:50:47 UTC 2023 , Edited by admin on Fri Dec 15 18:50:47 UTC 2023

PRIMARY

CHEBI

50045

Created by admin on Fri Dec 15 18:50:47 UTC 2023 , Edited by admin on Fri Dec 15 18:50:47 UTC 2023

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NSC

67392

Created by admin on Fri Dec 15 18:50:47 UTC 2023 , Edited by admin on Fri Dec 15 18:50:47 UTC 2023

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CAS

471-15-8

Created by admin on Fri Dec 15 18:50:47 UTC 2023 , Edited by admin on Fri Dec 15 18:50:47 UTC 2023

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MESH

C005790

Created by admin on Fri Dec 15 18:50:47 UTC 2023 , Edited by admin on Fri Dec 15 18:50:47 UTC 2023

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MERCK INDEX

m10816

Created by admin on Fri Dec 15 18:50:47 UTC 2023 , Edited by admin on Fri Dec 15 18:50:47 UTC 2023

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Merck Index

FDA UNII

8ZI5R3T54Q

Created by admin on Fri Dec 15 18:50:47 UTC 2023 , Edited by admin on Fri Dec 15 18:50:47 UTC 2023

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